ethyl (2S)-2-[[(6E,9E)-octadeca-6,9-dienoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(6E,9E)-octadeca-6,9-dienoyl]amino]-3-oxidanyl-propanoate Openeye Name: ethyl (2S)-3-hydroxy-2-[[(6E,9E)-octadeca-6,9-dienoyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[(6E,9E)-1-oxooctadeca-6,9-dienyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-hydroxy-2-[[(6E,9E)-octadeca-6,9-dienoyl]amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[(6E,9E)-octadeca-6,9-dienoyl]amino]propionic acid ethyl ester Formula: C23H41NO4 MolecularWeight: 395.57594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCC=CCCCCC(=O)NC(CO)C(=O)OCC

Isomeric SMILES

CCCCCCCC/C=C/C/C=C/CCCCC(=O)N[C@@H](CO)C(=O)OCC

InChI

InChI=1S/C23H41NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-21(20-25)23(27)28-4-2/h11-12,14-15,21,25H,3-10,13,16-20H2,1-2H3,(H,24,26)/b12-11+,15-14+/t21-/m0/s1